6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one

C21H26N4O2 — CID 44539765

IUPAC6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3
InChIKeyVZAMXAIBSUJMCA-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.15
Rot. Bonds3

About 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one

6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one (PubChem CID 44539765) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
PubChem CID44539765
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3
InChIKeyVZAMXAIBSUJMCA-UHFFFAOYSA-N
XLogP2.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(1-cyclopentylpiperidin-4-yl)methoxy]phenyl]-2-methylpyridazin-3-one
CID 59651975
2-methyl-6-[4-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]pyridazin-3-one
CID 125446950
(4-cyclohexylpiperazin-1-yl)-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037663
(4-cyclohexyl-1,4-diazepan-1-yl)-(4-pyrazin-2-ylphenyl)methanone
CID 119073848
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-(4-pyrazin-2-ylphenyl)methanone
CID 119059947
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
4-(4-cyclopentylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 113073023
6-[4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)phenyl]-2-methylpyridazin-3-one
CID 122566176
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one (CID 44539765) is 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)ccc1=O.
What is the InChIKey of 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one?
The InChIKey is VZAMXAIBSUJMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3.
What are the key properties of 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one?
6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one has a molecular weight of 366.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 44539765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).